N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide

C27H17NO4 — CID 56695964

IUPACN-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C27H17NO4/c29-24-19-13-7-8-14-20(19)25(30)23-21(24)15-16-22(26(23)32-18-11-5-2-6-12-18)28-27(31)17-9-3-1-4-10-17/h1-16H,(H,28,31)
InChIKeyMBLHGIBMNGIIRE-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.51
Rot. Bonds4

About N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide

N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide (PubChem CID 56695964) has the molecular formula C27H17NO4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide.

Molecular Properties

Compound NameN-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
PubChem CID56695964
Molecular FormulaC27H17NO4
Molecular Weight419.44 g/mol
Exact Mass419.12
IUPAC NameN-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O)c1ccccc1
InChIInChI=1S/C27H17NO4/c29-24-19-13-7-8-14-20(19)25(30)23-21(24)15-16-22(26(23)32-18-11-5-2-6-12-18)28-27(31)17-9-3-1-4-10-17/h1-16H,(H,28,31)
InChIKeyMBLHGIBMNGIIRE-UHFFFAOYSA-N
XLogP5.51
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(6-benzamido-1,5-dichloro-9,10-dioxoanthracen-2-yl)benzamide
CID 10962330
N-(8-benzamido-9,10-dioxoanthracen-1-yl)benzamide
CID 2839734
2-amino-1-phenoxyanthracene-9,10-dione
CID 2847914
methyl 4-[(9,10-dioxoanthracen-1-yl)carbamoyl]benzoate
CID 4138390
N-(5,8,14-trioxo-13H-naphtho[2,3-c]acridin-6-yl)benzamide
CID 20781477
N-(5-amino-9,10-dioxoanthracen-1-yl)acetamide;N-(5-amino-9,10-dioxoanthracen-1-yl)benzamide
CID 19828301
N-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]benzamide
CID 21486214
N-naphthalen-1-yl-9,10-dioxoanthracene-2-carboxamide
CID 102214638
2-chloro-N-(9,10-dioxo-4-phenoxyanthracen-1-yl)acetamide
CID 13110151
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
2-amino-1-(4-tert-butylphenoxy)anthracene-9,10-dione
CID 2848108
1-[(2-oxo-1-phenylethenyl)amino]anthracene-9,10-dione
CID 176542149

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide?
The IUPAC name of N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide (CID 56695964) is N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide.
What is the SMILES notation for N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide?
The canonical SMILES for N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide is O=C(Nc1ccc2c(c1Oc1ccccc1)C(=O)c1ccccc1C2=O)c1ccccc1.
What is the InChIKey of N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide?
The InChIKey is MBLHGIBMNGIIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO4/c29-24-19-13-7-8-14-20(19)25(30)23-21(24)15-16-22(26(23)32-18-11-5-2-6-12-18)28-27(31)17-9-3-1-4-10-17/h1-16H,(H,28,31).
What are the key properties of N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide?
N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide has a molecular weight of 419.44 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxo-1-phenoxyanthracen-2-yl)benzamide is sourced from PubChem (CID 56695964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).